SCHEMBL25225543

SCHEMBL25225543

O=C(O)[C@@H]1CC=C[C@@H](N2C(=O)c3ccccc3C2=O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABAT P80404 1/20 0.42
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
CYP2C19 P33261 1/20 0.35
POLB P06746 2/20 0.35
APAF1 O14727 1/20 0.35
NSD2 O96028 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
CASP3 P42574 1/20 0.35
RECQL P46063 1/20 0.35
GALK1 P51570 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31320422 1.00 ABAT (0.42) ABATKMT2AMEN1CA12CA9
SCHEMBL30449095 0.80 MEN1 (0.48) KMT2AMEN1CYP2C19MAPTTSHR
SCHEMBL17374190 0.74 KMT2A (0.47) KMT2AMEN1CA12CA9CYP2C19
SCHEMBL17374189 0.74 KMT2A (0.47) KMT2AMEN1CA12CA9CYP2C19
SCHEMBL19734569 0.74 KMT2A (0.47) KMT2AMEN1CA12CA9CYP2C19
SCHEMBL19742113 0.74 KMT2A (0.47) KMT2AMEN1CA12CA9CYP2C19
SCHEMBL7894407 0.73 HDAC4 (0.38) KMT2ACA12CA9CYP2C19POLB
SCHEMBL8892945 0.71 ALDH1A1 (0.39) KMT2AMEN1CA12CA9CYP2C19
SCHEMBL4542699 0.71 ALDH1A1 (0.39) KMT2AMEN1CA12CA9CYP2C19
SCHEMBL7894311 0.71 KMT2A (0.53) KMT2AMEN1CA12CA9CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024126617-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING KINASES VIA UBIQUITIN PROTEOSOME PATHWAY CROSSFIRE ONCOLOGY HOLDING B.V. (NL) 2024-06-20 WO disclosed
WO-2023110970-A1 MACROCYCLIC BTK INHIBITORS NETHERLANDS TRANSLATIONAL RESEARCH CENTER HOLDING B.V (NL) 2023-06-22 WO disclosed
WO-2023110936-A1 REVERSIBLE MACROCYCLIC KINASE INHIBITORS NETHERLANDS TRANSLATIONAL RESEARCH CENTER HOLDING B.V (NL) 2023-06-22 WO disclosed